| CAS Number | 1160247-58-4 |
| Catalog Number | AG00HD8C(AGN-PC-0WG4II) |
| Chemical Name | tert-Butyl 3-amino-7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate |
| IUPAC Name | tert-butyl 1-amino-4-bromospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate |
| InChI | InChI=1S/C18H25BrN2O2/c1-17(2,3)23-16(22)21-9-7-18(8-10-21)11-14(20)12-5-4-6-13(19)15(12)18/h4-6,14H,7-11,20H2,1-3H3 |
| InChI Key | NIBUWELKNQAJIR-UHFFFAOYSA-N |
| MDL Number | MFCD12198616 |
| Molecular Formula | C18H25BrN2O2 |
| Molecular Weight | 381.3073 |
| SMILES | O=C(N1CCC2(CC1)CC(c1c2c(Br)ccc1)N)OC(C)(C)C |
| Synonyms | 1160247-58-4,
tert-Butyl 3-amino-7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate,
Tert-Butyl 3-Amino-7-Bromo-2,3-Dihydrospiro[Indene-1,4-Piperidine]-1-Carboxylate,
SCHEMBL1953285,
NIBUWELKNQAJIR-UHFFFAOYSA-N,
AM804731,
CS-0037374,
(+/-)-tert-butyl 3-amino-7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate,
tert-butyl 1-amino-4-bromospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate,
tert-Butyl3-amino-7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate,
|
| Complexity | 454 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 380.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.314g/mol |
| Monoisotopic Mass | 380.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number